2-[[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl-oxidanyl-phosphoryl]oxymethyl]propanedioic acid

Systemtic Name: 2-[[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl-oxidanyl-phosphoryl]oxymethyl]propanedioic acid Openeye Name: 2-[[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl-hydroxy-phosphoryl]oxymethyl]propanedioic acid CAS Name: 2-[[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl-hydroxyphosphoryl]oxymethyl]propanedioic acid IUPAC Name: 2-[[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl-hydroxyphosphoryl]oxymethyl]propanedioic acid Traditional Name: 2-[[hydroxy-[2-(2-imidazolin-2-yl)ethyl]phosphoryl]oxymethyl]malonic acid Formula: C9H15N2O7P MolecularWeight: 294.198361

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)CCP(=O)(O)OCC(C(=O)O)C(=O)O

Isomeric SMILES

C1CN=C(N1)CCP(=O)(O)OCC(C(=O)O)C(=O)O

InChI

InChI=1S/C9H15N2O7P/c12-8(13)6(9(14)15)5-18-19(16,17)4-1-7-10-2-3-11-7/h6H,1-5H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17)